N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide

C22H28F2N2O3 — CID 55429915

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H28F2N2O3/c1-16-11-17(2)13-20(12-16)28-10-9-25(3)15-21(27)26(4)14-18-5-7-19(8-6-18)29-22(23)24/h5-8,11-13,22H,9-10,14-15H2,1-4H3
InChIKeyXRSFPOIVRUUIDV-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.87
Rot. Bonds10

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide (PubChem CID 55429915) has the molecular formula C22H28F2N2O3 and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide
PubChem CID55429915
Molecular FormulaC22H28F2N2O3
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide
SMILESCc1cc(C)cc(OCCN(C)CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H28F2N2O3/c1-16-11-17(2)13-20(12-16)28-10-9-25(3)15-21(27)26(4)14-18-5-7-19(8-6-18)29-22(23)24/h5-8,11-13,22H,9-10,14-15H2,1-4H3
InChIKeyXRSFPOIVRUUIDV-UHFFFAOYSA-N
XLogP3.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 99159904
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55314984
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
ethyl 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]acetate
CID 60676948
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87016537
4-(3-bromophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55344255
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide (CID 55429915) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide is Cc1cc(C)cc(OCCN(C)CC(=O)N(C)Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide?
The InChIKey is XRSFPOIVRUUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O3/c1-16-11-17(2)13-20(12-16)28-10-9-25(3)15-21(27)26(4)14-18-5-7-19(8-6-18)29-22(23)24/h5-8,11-13,22H,9-10,14-15H2,1-4H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide has a molecular weight of 406.47 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 55429915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).